Spin Orbit Coupling With Hybrid XC (PBC)

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oandr...@gmail.com

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May 29, 2026, 10:20:33 AMMay 29
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Dear Community, 

I was wondering if is possible to compute the PDOS , with PBE0-TC-LRC while including spin orbit coupling?

Using the GTH_SOC_POTENTIAL is enough? 

best

Andres Ortega-Guerrero

BIBEK SAMAL

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Jul 13, 2026, 7:27:42 AM (4 days ago) Jul 13
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Dear Andreas, 

Unfortunately, the computation of PDOS is not available at the moment with SOC; the PDOS column will contain only zeros.

Best, 
Bibek

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